USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot 152:sc= -7.83! USER MOD Set 1.2: A 77 TYR OH : rot -172:sc= -5.27! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 109:sc= -3.93! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.386 F(o=-1.2,f=-0.39) USER MOD Single : A 22 SER OG : rot 107:sc= 1.06 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -6.68! C(o=-6.7!,f=-7.9!) USER MOD Single : A 35 HIS :FLIP no HE2:sc= -6.53! C(o=-11!,f=-6.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -2.14! USER MOD Single : A 57 MET CE :methyl -140:sc= -5.57! (180deg=-9.51!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 64 THR OG1 : rot 38:sc= -0.516! USER MOD Single : A 65 TYR OH : rot 180:sc= -1.61! USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -0.103 (180deg=-0.525) USER MOD Single : A 80 ASN :FLIP amide:sc= -2.69! C(o=-4.4!,f=-2.7!) USER MOD Single : A 82 THR OG1 : rot 1:sc= -6.86! USER MOD Single : A 87 ASN : amide:sc= -0.973 K(o=-0.97,f=-1.8) USER MOD Single : A 89 ASN : amide:sc= -0.178 K(o=-0.18,f=-1) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -15.206 -10.115 -0.698 1.00 0.00 N ATOM 14 CA ASP A 2 -13.799 -10.270 -0.238 1.00 0.00 C ATOM 15 C ASP A 2 -13.463 -9.285 0.912 1.00 0.00 C ATOM 16 O ASP A 2 -12.394 -8.718 0.939 1.00 0.00 O ATOM 17 CB ASP A 2 -12.887 -10.011 -1.441 1.00 0.00 C ATOM 18 CG ASP A 2 -11.448 -9.920 -0.980 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.154 -10.476 0.060 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.664 -9.302 -1.673 1.00 0.00 O ATOM 0 HA ASP A 2 -13.651 -11.277 0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.995 -10.813 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.179 -9.086 -1.938 1.00 0.00 H new ATOM 25 N PRO A 3 -14.352 -9.121 1.863 1.00 0.00 N ATOM 26 CA PRO A 3 -14.084 -8.239 3.012 1.00 0.00 C ATOM 27 C PRO A 3 -13.163 -8.968 3.994 1.00 0.00 C ATOM 28 O PRO A 3 -12.820 -8.458 5.042 1.00 0.00 O ATOM 29 CB PRO A 3 -15.461 -8.024 3.638 1.00 0.00 C ATOM 30 CG PRO A 3 -16.324 -9.225 3.191 1.00 0.00 C ATOM 31 CD PRO A 3 -15.680 -9.767 1.902 1.00 0.00 C ATOM 0 HA PRO A 3 -13.600 -7.301 2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.392 -7.976 4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -15.899 -7.083 3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.351 -9.993 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.354 -8.917 3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.594 -10.853 1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.273 -9.513 1.023 1.00 0.00 H new ATOM 39 N GLU A 4 -12.792 -10.180 3.668 1.00 0.00 N ATOM 40 CA GLU A 4 -11.929 -10.978 4.582 1.00 0.00 C ATOM 41 C GLU A 4 -10.708 -11.530 3.842 1.00 0.00 C ATOM 42 O GLU A 4 -9.938 -12.292 4.392 1.00 0.00 O ATOM 43 CB GLU A 4 -12.749 -12.154 5.085 1.00 0.00 C ATOM 44 CG GLU A 4 -12.596 -12.288 6.601 1.00 0.00 C ATOM 45 CD GLU A 4 -11.881 -13.602 6.928 1.00 0.00 C ATOM 46 OE1 GLU A 4 -11.958 -14.513 6.120 1.00 0.00 O ATOM 47 OE2 GLU A 4 -11.268 -13.674 7.980 1.00 0.00 O ATOM 0 H GLU A 4 -13.053 -10.651 2.802 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.587 -10.341 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.799 -12.012 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.422 -13.072 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.029 -11.445 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.575 -12.266 7.079 1.00 0.00 H new ATOM 54 N LYS A 5 -10.520 -11.169 2.606 1.00 0.00 N ATOM 55 CA LYS A 5 -9.351 -11.693 1.856 1.00 0.00 C ATOM 56 C LYS A 5 -8.830 -10.581 0.966 1.00 0.00 C ATOM 57 O LYS A 5 -8.408 -10.801 -0.152 1.00 0.00 O ATOM 58 CB LYS A 5 -9.779 -12.883 0.997 1.00 0.00 C ATOM 59 CG LYS A 5 -10.606 -13.853 1.841 1.00 0.00 C ATOM 60 CD LYS A 5 -10.241 -15.292 1.471 1.00 0.00 C ATOM 61 CE LYS A 5 -9.184 -15.816 2.443 1.00 0.00 C ATOM 62 NZ LYS A 5 -8.576 -17.059 1.894 1.00 0.00 N ATOM 0 H LYS A 5 -11.125 -10.535 2.084 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.575 -12.023 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.364 -12.537 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.901 -13.390 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.419 -13.680 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.669 -13.682 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.128 -15.924 1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.862 -15.331 0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.414 -15.061 2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.636 -16.018 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.857 -17.415 2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.315 -17.779 1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.131 -16.852 0.977 1.00 0.00 H new ATOM 76 N SER A 6 -8.874 -9.381 1.454 1.00 0.00 N ATOM 77 CA SER A 6 -8.402 -8.239 0.634 1.00 0.00 C ATOM 78 C SER A 6 -7.167 -7.640 1.290 1.00 0.00 C ATOM 79 O SER A 6 -7.227 -7.105 2.376 1.00 0.00 O ATOM 80 CB SER A 6 -9.479 -7.165 0.586 1.00 0.00 C ATOM 81 OG SER A 6 -10.632 -7.666 -0.065 1.00 0.00 O ATOM 0 H SER A 6 -9.216 -9.140 2.384 1.00 0.00 H new ATOM 0 HA SER A 6 -8.175 -8.587 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.732 -6.846 1.597 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.106 -6.287 0.059 1.00 0.00 H new ATOM 0 HG SER A 6 -11.350 -7.790 0.591 1.00 0.00 H new ATOM 87 N TYR A 7 -6.046 -7.735 0.647 1.00 0.00 N ATOM 88 CA TYR A 7 -4.804 -7.170 1.254 1.00 0.00 C ATOM 89 C TYR A 7 -3.983 -6.404 0.210 1.00 0.00 C ATOM 90 O TYR A 7 -3.851 -6.817 -0.927 1.00 0.00 O ATOM 91 CB TYR A 7 -3.950 -8.299 1.847 1.00 0.00 C ATOM 92 CG TYR A 7 -4.276 -9.614 1.174 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.472 -10.278 1.473 1.00 0.00 C ATOM 94 CD2 TYR A 7 -3.379 -10.171 0.255 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.771 -11.497 0.853 1.00 0.00 C ATOM 96 CE2 TYR A 7 -3.678 -11.391 -0.365 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.874 -12.053 -0.066 1.00 0.00 C ATOM 98 OH TYR A 7 -5.168 -13.255 -0.676 1.00 0.00 O ATOM 0 H TYR A 7 -5.928 -8.174 -0.266 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.097 -6.478 2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.892 -8.070 1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.132 -8.377 2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.164 -9.849 2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.456 -9.660 0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.694 -12.008 1.084 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.986 -11.821 -1.074 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.441 -13.499 -1.286 1.00 0.00 H new ATOM 108 N ALA A 8 -3.411 -5.294 0.607 1.00 0.00 N ATOM 109 CA ALA A 8 -2.570 -4.488 -0.327 1.00 0.00 C ATOM 110 C ALA A 8 -1.154 -4.424 0.235 1.00 0.00 C ATOM 111 O ALA A 8 -0.943 -3.985 1.349 1.00 0.00 O ATOM 112 CB ALA A 8 -3.122 -3.064 -0.441 1.00 0.00 C ATOM 0 H ALA A 8 -3.493 -4.909 1.548 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.575 -4.951 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.500 -2.486 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.143 -3.099 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.116 -2.592 0.541 1.00 0.00 H new ATOM 118 N GLU A 9 -0.178 -4.862 -0.507 1.00 0.00 N ATOM 119 CA GLU A 9 1.210 -4.815 0.033 1.00 0.00 C ATOM 120 C GLU A 9 2.193 -4.444 -1.071 1.00 0.00 C ATOM 121 O GLU A 9 2.054 -4.844 -2.214 1.00 0.00 O ATOM 122 CB GLU A 9 1.583 -6.184 0.607 1.00 0.00 C ATOM 123 CG GLU A 9 1.073 -7.285 -0.325 1.00 0.00 C ATOM 124 CD GLU A 9 1.530 -8.648 0.197 1.00 0.00 C ATOM 125 OE1 GLU A 9 2.005 -8.702 1.319 1.00 0.00 O ATOM 126 OE2 GLU A 9 1.397 -9.616 -0.534 1.00 0.00 O ATOM 0 H GLU A 9 -0.276 -5.244 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 9 1.257 -4.061 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.664 -6.260 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.150 -6.304 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.015 -7.252 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.451 -7.125 -1.335 1.00 0.00 H new ATOM 133 N GLY A 10 3.184 -3.672 -0.734 1.00 0.00 N ATOM 134 CA GLY A 10 4.186 -3.267 -1.747 1.00 0.00 C ATOM 135 C GLY A 10 5.441 -2.744 -1.054 1.00 0.00 C ATOM 136 O GLY A 10 5.444 -2.531 0.141 1.00 0.00 O ATOM 0 H GLY A 10 3.342 -3.304 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.438 -4.116 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.770 -2.496 -2.395 1.00 0.00 H new ATOM 140 N PRO A 11 6.455 -2.488 -1.844 1.00 0.00 N ATOM 141 CA PRO A 11 7.712 -1.909 -1.349 1.00 0.00 C ATOM 142 C PRO A 11 7.518 -0.394 -1.172 1.00 0.00 C ATOM 143 O PRO A 11 8.457 0.353 -0.986 1.00 0.00 O ATOM 144 CB PRO A 11 8.714 -2.211 -2.467 1.00 0.00 C ATOM 145 CG PRO A 11 7.880 -2.430 -3.752 1.00 0.00 C ATOM 146 CD PRO A 11 6.446 -2.763 -3.296 1.00 0.00 C ATOM 0 HA PRO A 11 8.042 -2.307 -0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.415 -1.386 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.304 -3.097 -2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.890 -1.537 -4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.295 -3.242 -4.349 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.710 -2.147 -3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.194 -3.803 -3.503 1.00 0.00 H new ATOM 154 N GLY A 12 6.287 0.050 -1.236 1.00 0.00 N ATOM 155 CA GLY A 12 5.968 1.490 -1.084 1.00 0.00 C ATOM 156 C GLY A 12 5.102 1.657 0.159 1.00 0.00 C ATOM 157 O GLY A 12 4.478 0.723 0.588 1.00 0.00 O ATOM 0 H GLY A 12 5.475 -0.547 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.883 2.074 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.443 1.858 -1.965 1.00 0.00 H new ATOM 161 N LEU A 13 5.062 2.826 0.740 1.00 0.00 N ATOM 162 CA LEU A 13 4.216 3.034 1.958 1.00 0.00 C ATOM 163 C LEU A 13 4.967 2.589 3.205 1.00 0.00 C ATOM 164 O LEU A 13 4.522 2.787 4.318 1.00 0.00 O ATOM 165 CB LEU A 13 2.884 2.285 1.790 1.00 0.00 C ATOM 166 CG LEU A 13 2.794 0.962 2.596 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.642 1.057 3.591 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.513 -0.207 1.645 1.00 0.00 C ATOM 0 H LEU A 13 5.578 3.648 0.426 1.00 0.00 H new ATOM 0 HA LEU A 13 3.994 4.095 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.070 2.941 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.734 2.065 0.733 1.00 0.00 H new ATOM 0 HG LEU A 13 3.737 0.799 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.575 0.129 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.818 1.889 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.709 1.221 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.451 -1.134 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.569 -0.036 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.319 -0.284 0.915 1.00 0.00 H new ATOM 180 N ASP A 14 6.113 2.016 3.026 1.00 0.00 N ATOM 181 CA ASP A 14 6.916 1.586 4.200 1.00 0.00 C ATOM 182 C ASP A 14 7.360 2.833 4.949 1.00 0.00 C ATOM 183 O ASP A 14 7.729 2.791 6.106 1.00 0.00 O ATOM 184 CB ASP A 14 8.158 0.863 3.723 1.00 0.00 C ATOM 185 CG ASP A 14 7.816 -0.029 2.528 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.552 0.512 1.467 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.822 -1.237 2.694 1.00 0.00 O ATOM 0 H ASP A 14 6.534 1.824 2.117 1.00 0.00 H new ATOM 0 HA ASP A 14 6.322 0.930 4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.924 1.585 3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.571 0.260 4.531 1.00 0.00 H new ATOM 192 N GLY A 15 7.330 3.945 4.276 1.00 0.00 N ATOM 193 CA GLY A 15 7.751 5.226 4.916 1.00 0.00 C ATOM 194 C GLY A 15 9.270 5.344 4.926 1.00 0.00 C ATOM 195 O GLY A 15 9.944 5.084 3.949 1.00 0.00 O ATOM 0 H GLY A 15 7.031 4.026 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.319 6.068 4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.370 5.272 5.936 1.00 0.00 H new ATOM 199 N GLY A 16 9.805 5.731 6.048 1.00 0.00 N ATOM 200 CA GLY A 16 11.284 5.873 6.182 1.00 0.00 C ATOM 201 C GLY A 16 11.833 6.967 5.272 1.00 0.00 C ATOM 202 O GLY A 16 12.435 7.916 5.734 1.00 0.00 O ATOM 0 H GLY A 16 9.276 5.958 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.535 6.102 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.764 4.925 5.940 1.00 0.00 H new ATOM 206 N GLU A 17 11.676 6.837 3.987 1.00 0.00 N ATOM 207 CA GLU A 17 12.249 7.870 3.086 1.00 0.00 C ATOM 208 C GLU A 17 11.204 8.425 2.124 1.00 0.00 C ATOM 209 O GLU A 17 10.354 7.718 1.620 1.00 0.00 O ATOM 210 CB GLU A 17 13.363 7.247 2.265 1.00 0.00 C ATOM 211 CG GLU A 17 14.609 7.061 3.134 1.00 0.00 C ATOM 212 CD GLU A 17 15.532 6.026 2.489 1.00 0.00 C ATOM 213 OE1 GLU A 17 15.470 5.879 1.279 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.285 5.398 3.214 1.00 0.00 O ATOM 0 H GLU A 17 11.183 6.072 3.527 1.00 0.00 H new ATOM 0 HA GLU A 17 12.619 8.685 3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.039 6.285 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.596 7.883 1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.132 8.011 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.322 6.735 4.134 1.00 0.00 H new ATOM 221 N CYS A 18 11.283 9.696 1.867 1.00 0.00 N ATOM 222 CA CYS A 18 10.310 10.343 0.926 1.00 0.00 C ATOM 223 C CYS A 18 10.842 10.258 -0.505 1.00 0.00 C ATOM 224 O CYS A 18 10.100 10.381 -1.459 1.00 0.00 O ATOM 225 CB CYS A 18 10.115 11.832 1.255 1.00 0.00 C ATOM 226 SG CYS A 18 8.680 12.049 2.343 1.00 0.00 S ATOM 0 H CYS A 18 11.980 10.325 2.266 1.00 0.00 H new ATOM 0 HA CYS A 18 9.361 9.817 1.029 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.010 12.226 1.738 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.973 12.400 0.335 1.00 0.00 H new ATOM 0 HG CYS A 18 8.845 13.112 3.072 1.00 0.00 H new ATOM 232 N PHE A 19 12.121 10.067 -0.667 1.00 0.00 N ATOM 233 CA PHE A 19 12.687 9.998 -2.044 1.00 0.00 C ATOM 234 C PHE A 19 12.661 8.564 -2.535 1.00 0.00 C ATOM 235 O PHE A 19 13.243 8.225 -3.546 1.00 0.00 O ATOM 236 CB PHE A 19 14.108 10.546 -2.057 1.00 0.00 C ATOM 237 CG PHE A 19 14.009 12.038 -1.934 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.350 12.580 -0.834 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.538 12.877 -2.919 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.221 13.956 -0.702 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.402 14.265 -2.792 1.00 0.00 C ATOM 242 CZ PHE A 19 13.742 14.800 -1.677 1.00 0.00 C ATOM 0 H PHE A 19 12.796 9.956 0.089 1.00 0.00 H new ATOM 0 HA PHE A 19 12.081 10.609 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.688 10.130 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.619 10.269 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.937 11.927 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.049 12.457 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.716 14.371 0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.804 14.921 -3.550 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.638 15.870 -1.575 1.00 0.00 H new ATOM 252 N GLN A 20 11.945 7.731 -1.850 1.00 0.00 N ATOM 253 CA GLN A 20 11.822 6.334 -2.295 1.00 0.00 C ATOM 254 C GLN A 20 10.501 6.255 -3.040 1.00 0.00 C ATOM 255 O GLN A 20 9.551 6.917 -2.671 1.00 0.00 O ATOM 256 CB GLN A 20 11.802 5.400 -1.082 1.00 0.00 C ATOM 257 CG GLN A 20 12.917 4.362 -1.218 1.00 0.00 C ATOM 258 CD GLN A 20 12.312 2.958 -1.209 1.00 0.00 C ATOM 259 OE1 GLN A 20 12.484 2.178 -2.242 1.00 0.00 O flip ATOM 260 NE2 GLN A 20 11.674 2.565 -0.252 1.00 0.00 N flip ATOM 0 H GLN A 20 11.438 7.962 -0.996 1.00 0.00 H new ATOM 0 HA GLN A 20 12.658 6.033 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.935 5.974 -0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.835 4.903 -1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.469 4.525 -2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.629 4.468 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.539 3.173 0.556 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.274 1.627 -0.256 1.00 0.00 H new ATOM 269 N PRO A 21 10.467 5.479 -4.074 1.00 0.00 N ATOM 270 CA PRO A 21 9.256 5.345 -4.881 1.00 0.00 C ATOM 271 C PRO A 21 8.198 4.599 -4.082 1.00 0.00 C ATOM 272 O PRO A 21 8.462 3.562 -3.508 1.00 0.00 O ATOM 273 CB PRO A 21 9.723 4.558 -6.109 1.00 0.00 C ATOM 274 CG PRO A 21 11.022 3.833 -5.689 1.00 0.00 C ATOM 275 CD PRO A 21 11.602 4.645 -4.515 1.00 0.00 C ATOM 0 HA PRO A 21 8.801 6.293 -5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.963 3.843 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.904 5.224 -6.952 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.816 2.806 -5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.728 3.787 -6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.956 3.995 -3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.449 5.255 -4.829 1.00 0.00 H new ATOM 283 N SER A 22 7.002 5.113 -4.027 1.00 0.00 N ATOM 284 CA SER A 22 5.963 4.408 -3.248 1.00 0.00 C ATOM 285 C SER A 22 5.045 3.693 -4.211 1.00 0.00 C ATOM 286 O SER A 22 4.315 4.313 -4.949 1.00 0.00 O ATOM 287 CB SER A 22 5.121 5.405 -2.491 1.00 0.00 C ATOM 288 OG SER A 22 5.953 6.407 -1.924 1.00 0.00 O ATOM 0 H SER A 22 6.707 5.977 -4.482 1.00 0.00 H new ATOM 0 HA SER A 22 6.445 3.716 -2.558 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.392 5.861 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.560 4.899 -1.706 1.00 0.00 H new ATOM 0 HG SER A 22 5.844 7.244 -2.423 1.00 0.00 H new ATOM 294 N LYS A 23 5.068 2.399 -4.211 1.00 0.00 N ATOM 295 CA LYS A 23 4.185 1.657 -5.124 1.00 0.00 C ATOM 296 C LYS A 23 3.821 0.327 -4.490 1.00 0.00 C ATOM 297 O LYS A 23 4.662 -0.386 -3.988 1.00 0.00 O ATOM 298 CB LYS A 23 4.903 1.401 -6.437 1.00 0.00 C ATOM 299 CG LYS A 23 5.724 2.629 -6.829 1.00 0.00 C ATOM 300 CD LYS A 23 6.158 2.511 -8.290 1.00 0.00 C ATOM 301 CE LYS A 23 7.135 3.640 -8.620 1.00 0.00 C ATOM 302 NZ LYS A 23 6.379 4.816 -9.136 1.00 0.00 N ATOM 0 H LYS A 23 5.663 1.824 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 23 3.284 2.241 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.555 0.532 -6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.179 1.172 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.134 3.534 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.599 2.715 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.630 1.544 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.288 2.564 -8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.699 3.919 -7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.858 3.304 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.043 5.584 -9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.860 4.545 -9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.706 5.141 -8.413 1.00 0.00 H new ATOM 316 N PHE A 24 2.572 -0.012 -4.513 1.00 0.00 N ATOM 317 CA PHE A 24 2.145 -1.306 -3.914 1.00 0.00 C ATOM 318 C PHE A 24 1.081 -1.953 -4.797 1.00 0.00 C ATOM 319 O PHE A 24 0.412 -1.291 -5.575 1.00 0.00 O ATOM 320 CB PHE A 24 1.580 -1.117 -2.495 1.00 0.00 C ATOM 321 CG PHE A 24 1.635 0.328 -2.086 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.870 0.957 -1.957 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.454 1.034 -1.829 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.939 2.295 -1.577 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.522 2.378 -1.446 1.00 0.00 C ATOM 326 CZ PHE A 24 1.769 3.007 -1.323 1.00 0.00 C ATOM 0 H PHE A 24 1.823 0.548 -4.920 1.00 0.00 H new ATOM 0 HA PHE A 24 3.023 -1.948 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.550 -1.471 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.149 -1.721 -1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.778 0.406 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.504 0.544 -1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.899 2.780 -1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.384 2.930 -1.245 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.823 4.045 -1.031 1.00 0.00 H new ATOM 336 N LYS A 25 0.918 -3.244 -4.681 1.00 0.00 N ATOM 337 CA LYS A 25 -0.100 -3.942 -5.511 1.00 0.00 C ATOM 338 C LYS A 25 -1.180 -4.491 -4.585 1.00 0.00 C ATOM 339 O LYS A 25 -0.908 -4.909 -3.475 1.00 0.00 O ATOM 340 CB LYS A 25 0.558 -5.097 -6.272 1.00 0.00 C ATOM 341 CG LYS A 25 1.899 -4.636 -6.845 1.00 0.00 C ATOM 342 CD LYS A 25 2.202 -5.418 -8.126 1.00 0.00 C ATOM 343 CE LYS A 25 3.670 -5.849 -8.126 1.00 0.00 C ATOM 344 NZ LYS A 25 4.316 -5.407 -9.395 1.00 0.00 N ATOM 0 H LYS A 25 1.447 -3.843 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.536 -3.249 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.709 -5.946 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.096 -5.435 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.868 -3.567 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.692 -4.793 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.555 -6.293 -8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.993 -4.800 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.188 -5.415 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.742 -6.932 -8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.314 -5.699 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.827 -5.842 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.258 -4.371 -9.471 1.00 0.00 H new ATOM 358 N ILE A 26 -2.410 -4.456 -5.014 1.00 0.00 N ATOM 359 CA ILE A 26 -3.508 -4.937 -4.142 1.00 0.00 C ATOM 360 C ILE A 26 -4.112 -6.217 -4.704 1.00 0.00 C ATOM 361 O ILE A 26 -4.106 -6.452 -5.895 1.00 0.00 O ATOM 362 CB ILE A 26 -4.568 -3.847 -4.073 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.859 -2.502 -3.912 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.497 -4.100 -2.884 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.864 -1.433 -3.508 1.00 0.00 C ATOM 0 H ILE A 26 -2.699 -4.115 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.123 -5.156 -3.146 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.169 -3.845 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.076 -2.581 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.373 -2.223 -4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.253 -3.316 -2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.984 -5.068 -3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.917 -4.096 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.353 -0.477 -3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.631 -1.345 -4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.329 -1.710 -2.562 1.00 0.00 H new ATOM 377 N HIS A 27 -4.622 -7.052 -3.847 1.00 0.00 N ATOM 378 CA HIS A 27 -5.223 -8.333 -4.315 1.00 0.00 C ATOM 379 C HIS A 27 -6.490 -8.642 -3.511 1.00 0.00 C ATOM 380 O HIS A 27 -6.452 -8.804 -2.302 1.00 0.00 O ATOM 381 CB HIS A 27 -4.235 -9.495 -4.126 1.00 0.00 C ATOM 382 CG HIS A 27 -2.885 -8.975 -3.722 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.195 -8.055 -4.489 1.00 0.00 N ATOM 384 CD2 HIS A 27 -2.101 -9.213 -2.622 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.056 -7.766 -3.843 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.945 -8.444 -2.698 1.00 0.00 N ATOM 0 H HIS A 27 -4.650 -6.904 -2.838 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.464 -8.225 -5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.610 -10.180 -3.365 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.150 -10.063 -5.052 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.497 -7.667 -5.383 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.344 -9.894 -1.820 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.316 -7.068 -4.206 1.00 0.00 H new ATOM 394 N ALA A 28 -7.608 -8.724 -4.178 1.00 0.00 N ATOM 395 CA ALA A 28 -8.891 -9.028 -3.468 1.00 0.00 C ATOM 396 C ALA A 28 -9.332 -10.484 -3.732 1.00 0.00 C ATOM 397 O ALA A 28 -9.425 -10.913 -4.861 1.00 0.00 O ATOM 398 CB ALA A 28 -9.978 -8.084 -3.980 1.00 0.00 C ATOM 0 H ALA A 28 -7.693 -8.594 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.738 -8.895 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.916 -8.298 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.685 -7.052 -3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.109 -8.227 -5.053 1.00 0.00 H new ATOM 404 N VAL A 29 -9.640 -11.243 -2.703 1.00 0.00 N ATOM 405 CA VAL A 29 -10.105 -12.648 -2.924 1.00 0.00 C ATOM 406 C VAL A 29 -11.545 -12.764 -2.428 1.00 0.00 C ATOM 407 O VAL A 29 -11.868 -12.395 -1.318 1.00 0.00 O ATOM 408 CB VAL A 29 -9.205 -13.636 -2.168 1.00 0.00 C ATOM 409 CG1 VAL A 29 -9.966 -14.945 -1.907 1.00 0.00 C ATOM 410 CG2 VAL A 29 -7.972 -13.940 -3.018 1.00 0.00 C ATOM 0 H VAL A 29 -9.589 -10.950 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.055 -12.890 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.908 -13.195 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.321 -15.640 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.853 -14.737 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.265 -15.387 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.328 -14.641 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.283 -14.379 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.424 -13.017 -3.208 1.00 0.00 H new ATOM 420 N ASP A 30 -12.406 -13.277 -3.247 1.00 0.00 N ATOM 421 CA ASP A 30 -13.828 -13.418 -2.850 1.00 0.00 C ATOM 422 C ASP A 30 -14.101 -14.884 -2.494 1.00 0.00 C ATOM 423 O ASP A 30 -13.186 -15.682 -2.455 1.00 0.00 O ATOM 424 CB ASP A 30 -14.694 -12.934 -4.018 1.00 0.00 C ATOM 425 CG ASP A 30 -15.042 -14.093 -4.958 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.159 -14.883 -5.246 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.187 -14.169 -5.373 1.00 0.00 O ATOM 0 H ASP A 30 -12.186 -13.609 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.065 -12.818 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.610 -12.484 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.165 -12.158 -4.571 1.00 0.00 H new ATOM 432 N PRO A 31 -15.339 -15.197 -2.220 1.00 0.00 N ATOM 433 CA PRO A 31 -15.732 -16.561 -1.839 1.00 0.00 C ATOM 434 C PRO A 31 -15.826 -17.488 -3.058 1.00 0.00 C ATOM 435 O PRO A 31 -16.425 -18.543 -2.988 1.00 0.00 O ATOM 436 CB PRO A 31 -17.105 -16.370 -1.188 1.00 0.00 C ATOM 437 CG PRO A 31 -17.662 -15.030 -1.725 1.00 0.00 C ATOM 438 CD PRO A 31 -16.459 -14.234 -2.266 1.00 0.00 C ATOM 0 HA PRO A 31 -15.006 -17.033 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.771 -17.195 -1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.020 -16.347 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.396 -15.204 -2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.168 -14.477 -0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.639 -13.880 -3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.255 -13.355 -1.654 1.00 0.00 H new ATOM 446 N ASP A 32 -15.238 -17.129 -4.172 1.00 0.00 N ATOM 447 CA ASP A 32 -15.315 -18.035 -5.349 1.00 0.00 C ATOM 448 C ASP A 32 -13.907 -18.504 -5.712 1.00 0.00 C ATOM 449 O ASP A 32 -13.682 -19.074 -6.762 1.00 0.00 O ATOM 450 CB ASP A 32 -15.927 -17.281 -6.530 1.00 0.00 C ATOM 451 CG ASP A 32 -17.386 -16.942 -6.217 1.00 0.00 C ATOM 452 OD1 ASP A 32 -18.163 -17.867 -6.040 1.00 0.00 O ATOM 453 OD2 ASP A 32 -17.701 -15.765 -6.156 1.00 0.00 O ATOM 0 H ASP A 32 -14.718 -16.263 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.937 -18.898 -5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.364 -16.368 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.869 -17.889 -7.433 1.00 0.00 H new ATOM 458 N GLY A 33 -12.948 -18.238 -4.867 1.00 0.00 N ATOM 459 CA GLY A 33 -11.552 -18.634 -5.182 1.00 0.00 C ATOM 460 C GLY A 33 -11.120 -17.770 -6.350 1.00 0.00 C ATOM 461 O GLY A 33 -10.471 -18.215 -7.275 1.00 0.00 O ATOM 0 H GLY A 33 -13.074 -17.763 -3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.900 -18.480 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.496 -19.692 -5.439 1.00 0.00 H new ATOM 465 N VAL A 34 -11.528 -16.533 -6.323 1.00 0.00 N ATOM 466 CA VAL A 34 -11.208 -15.614 -7.437 1.00 0.00 C ATOM 467 C VAL A 34 -11.105 -14.190 -6.901 1.00 0.00 C ATOM 468 O VAL A 34 -10.961 -13.968 -5.715 1.00 0.00 O ATOM 469 CB VAL A 34 -12.349 -15.673 -8.456 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.799 -15.419 -9.855 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.018 -17.053 -8.419 1.00 0.00 C ATOM 0 H VAL A 34 -12.075 -16.120 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.265 -15.903 -7.900 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.086 -14.910 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.613 -15.461 -10.579 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.333 -14.434 -9.890 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.057 -16.180 -10.098 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.828 -17.084 -9.148 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.283 -17.820 -8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.419 -17.236 -7.422 1.00 0.00 H new ATOM 481 N HIS A 35 -11.204 -13.224 -7.767 1.00 0.00 N ATOM 482 CA HIS A 35 -11.141 -11.811 -7.317 1.00 0.00 C ATOM 483 C HIS A 35 -12.555 -11.230 -7.355 1.00 0.00 C ATOM 484 O HIS A 35 -12.834 -10.295 -8.077 1.00 0.00 O ATOM 485 CB HIS A 35 -10.230 -11.023 -8.254 1.00 0.00 C ATOM 486 CG HIS A 35 -8.808 -11.151 -7.785 1.00 0.00 C ATOM 487 ND1 HIS A 35 -8.063 -10.399 -6.917 1.00 0.00 N flip ATOM 488 CD2 HIS A 35 -7.967 -12.158 -8.229 1.00 0.00 C flip ATOM 489 CE1 HIS A 35 -6.779 -10.924 -6.818 1.00 0.00 C flip ATOM 490 NE2 HIS A 35 -6.775 -11.985 -7.629 1.00 0.00 N flip ATOM 0 H HIS A 35 -11.326 -13.354 -8.771 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.743 -11.751 -6.304 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.324 -11.398 -9.273 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.527 -9.974 -8.272 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.400 -9.576 -6.417 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.222 -12.940 -8.929 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.962 -10.554 -6.216 1.00 0.00 H new ATOM 498 N ARG A 36 -13.450 -11.805 -6.595 1.00 0.00 N ATOM 499 CA ARG A 36 -14.862 -11.329 -6.581 1.00 0.00 C ATOM 500 C ARG A 36 -15.286 -11.043 -8.011 1.00 0.00 C ATOM 501 O ARG A 36 -15.491 -9.908 -8.393 1.00 0.00 O ATOM 502 CB ARG A 36 -15.003 -10.062 -5.727 1.00 0.00 C ATOM 503 CG ARG A 36 -13.800 -9.137 -5.933 1.00 0.00 C ATOM 504 CD ARG A 36 -13.940 -7.892 -5.045 1.00 0.00 C ATOM 505 NE ARG A 36 -14.961 -8.132 -3.985 1.00 0.00 N ATOM 506 CZ ARG A 36 -16.170 -7.663 -4.126 1.00 0.00 C ATOM 507 NH1 ARG A 36 -16.657 -7.469 -5.320 1.00 0.00 N ATOM 508 NH2 ARG A 36 -16.889 -7.387 -3.073 1.00 0.00 N ATOM 0 H ARG A 36 -13.259 -12.593 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.500 -12.098 -6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.921 -9.538 -5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.084 -10.333 -4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.878 -9.666 -5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.732 -8.842 -6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.980 -7.651 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.229 -7.034 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.714 -8.663 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.093 -7.684 -6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.602 -7.102 -5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.506 -7.538 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.834 -7.020 -3.183 1.00 0.00 H new ATOM 522 N THR A 37 -15.409 -12.069 -8.810 1.00 0.00 N ATOM 523 CA THR A 37 -15.803 -11.851 -10.233 1.00 0.00 C ATOM 524 C THR A 37 -15.031 -10.641 -10.779 1.00 0.00 C ATOM 525 O THR A 37 -15.536 -9.536 -10.789 1.00 0.00 O ATOM 526 CB THR A 37 -17.306 -11.565 -10.306 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.950 -12.130 -9.174 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.886 -12.176 -11.582 1.00 0.00 C ATOM 0 H THR A 37 -15.255 -13.041 -8.542 1.00 0.00 H new ATOM 0 HA THR A 37 -15.573 -12.739 -10.822 1.00 0.00 H new ATOM 0 HB THR A 37 -17.468 -10.487 -10.318 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.912 -11.946 -9.219 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.955 -11.970 -11.630 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.393 -11.740 -12.451 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.724 -13.254 -11.576 1.00 0.00 H new ATOM 536 N ASP A 38 -13.806 -10.829 -11.212 1.00 0.00 N ATOM 537 CA ASP A 38 -13.014 -9.674 -11.730 1.00 0.00 C ATOM 538 C ASP A 38 -13.903 -8.777 -12.591 1.00 0.00 C ATOM 539 O ASP A 38 -14.965 -9.173 -13.028 1.00 0.00 O ATOM 540 CB ASP A 38 -11.841 -10.186 -12.568 1.00 0.00 C ATOM 541 CG ASP A 38 -10.599 -9.341 -12.271 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.748 -8.295 -11.662 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.519 -9.754 -12.659 1.00 0.00 O ATOM 0 H ASP A 38 -13.325 -11.728 -11.228 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.633 -9.098 -10.886 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.645 -11.234 -12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.086 -10.132 -13.629 1.00 0.00 H new ATOM 548 N GLY A 39 -13.476 -7.570 -12.837 1.00 0.00 N ATOM 549 CA GLY A 39 -14.298 -6.647 -13.666 1.00 0.00 C ATOM 550 C GLY A 39 -15.166 -5.766 -12.760 1.00 0.00 C ATOM 551 O GLY A 39 -15.339 -4.590 -13.012 1.00 0.00 O ATOM 0 H GLY A 39 -12.594 -7.184 -12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.650 -6.023 -14.282 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.930 -7.219 -14.345 1.00 0.00 H new ATOM 555 N GLY A 40 -15.721 -6.321 -11.708 1.00 0.00 N ATOM 556 CA GLY A 40 -16.580 -5.499 -10.807 1.00 0.00 C ATOM 557 C GLY A 40 -16.131 -5.657 -9.348 1.00 0.00 C ATOM 558 O GLY A 40 -16.901 -6.057 -8.497 1.00 0.00 O ATOM 0 H GLY A 40 -15.616 -7.299 -11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.525 -4.450 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.621 -5.804 -10.909 1.00 0.00 H new ATOM 562 N ASP A 41 -14.899 -5.335 -9.042 1.00 0.00 N ATOM 563 CA ASP A 41 -14.431 -5.459 -7.630 1.00 0.00 C ATOM 564 C ASP A 41 -14.585 -4.105 -6.935 1.00 0.00 C ATOM 565 O ASP A 41 -14.002 -3.122 -7.346 1.00 0.00 O ATOM 566 CB ASP A 41 -12.954 -5.880 -7.602 1.00 0.00 C ATOM 567 CG ASP A 41 -12.790 -7.213 -8.332 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.598 -7.493 -9.204 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.860 -7.934 -8.007 1.00 0.00 O ATOM 0 H ASP A 41 -14.202 -4.994 -9.704 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.026 -6.214 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.338 -5.116 -8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.611 -5.973 -6.572 1.00 0.00 H new ATOM 574 N GLY A 42 -15.365 -4.043 -5.887 1.00 0.00 N ATOM 575 CA GLY A 42 -15.545 -2.747 -5.170 1.00 0.00 C ATOM 576 C GLY A 42 -14.222 -2.368 -4.506 1.00 0.00 C ATOM 577 O GLY A 42 -14.121 -2.276 -3.300 1.00 0.00 O ATOM 0 H GLY A 42 -15.883 -4.831 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.854 -1.969 -5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.332 -2.835 -4.421 1.00 0.00 H new ATOM 581 N PHE A 43 -13.203 -2.168 -5.292 1.00 0.00 N ATOM 582 CA PHE A 43 -11.871 -1.822 -4.728 1.00 0.00 C ATOM 583 C PHE A 43 -11.620 -0.316 -4.837 1.00 0.00 C ATOM 584 O PHE A 43 -11.515 0.231 -5.917 1.00 0.00 O ATOM 585 CB PHE A 43 -10.796 -2.557 -5.527 1.00 0.00 C ATOM 586 CG PHE A 43 -9.968 -3.441 -4.623 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.609 -3.014 -3.337 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.544 -4.689 -5.088 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.819 -3.844 -2.527 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.760 -5.514 -4.280 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.396 -5.091 -2.998 1.00 0.00 C ATOM 0 H PHE A 43 -13.237 -2.230 -6.310 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.841 -2.113 -3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.263 -3.161 -6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.151 -1.835 -6.028 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.938 -2.052 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.825 -5.017 -6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.537 -3.519 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.435 -6.477 -4.644 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.788 -5.727 -2.372 1.00 0.00 H new ATOM 601 N VAL A 44 -11.486 0.348 -3.726 1.00 0.00 N ATOM 602 CA VAL A 44 -11.195 1.809 -3.761 1.00 0.00 C ATOM 603 C VAL A 44 -9.945 2.061 -2.913 1.00 0.00 C ATOM 604 O VAL A 44 -9.944 1.863 -1.715 1.00 0.00 O ATOM 605 CB VAL A 44 -12.402 2.626 -3.231 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.315 1.748 -2.370 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.919 3.821 -2.392 1.00 0.00 C ATOM 0 H VAL A 44 -11.565 -0.057 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.019 2.132 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.961 2.990 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.155 2.341 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.688 0.916 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.752 1.361 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.780 4.382 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.338 3.459 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.296 4.470 -3.008 1.00 0.00 H new ATOM 617 N VAL A 45 -8.878 2.486 -3.530 1.00 0.00 N ATOM 618 CA VAL A 45 -7.628 2.737 -2.762 1.00 0.00 C ATOM 619 C VAL A 45 -7.236 4.203 -2.891 1.00 0.00 C ATOM 620 O VAL A 45 -7.556 4.861 -3.861 1.00 0.00 O ATOM 621 CB VAL A 45 -6.502 1.871 -3.315 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.359 1.800 -2.300 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.020 0.462 -3.599 1.00 0.00 C ATOM 0 H VAL A 45 -8.818 2.670 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.798 2.491 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.137 2.313 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.556 1.180 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.981 2.804 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.725 1.365 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.210 -0.151 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.394 0.019 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.827 0.511 -4.330 1.00 0.00 H new ATOM 633 N THR A 46 -6.542 4.724 -1.920 1.00 0.00 N ATOM 634 CA THR A 46 -6.132 6.148 -2.001 1.00 0.00 C ATOM 635 C THR A 46 -4.982 6.440 -1.034 1.00 0.00 C ATOM 636 O THR A 46 -5.042 6.136 0.143 1.00 0.00 O ATOM 637 CB THR A 46 -7.324 7.045 -1.661 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.333 6.272 -1.030 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.884 7.661 -2.945 1.00 0.00 C ATOM 0 H THR A 46 -6.243 4.228 -1.080 1.00 0.00 H new ATOM 0 HA THR A 46 -5.792 6.352 -3.016 1.00 0.00 H new ATOM 0 HB THR A 46 -6.999 7.839 -0.989 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.096 6.847 -0.811 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.733 8.300 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.110 8.255 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.208 6.867 -3.618 1.00 0.00 H new ATOM 647 N ILE A 47 -3.952 7.067 -1.527 1.00 0.00 N ATOM 648 CA ILE A 47 -2.797 7.443 -0.665 1.00 0.00 C ATOM 649 C ILE A 47 -2.579 8.938 -0.771 1.00 0.00 C ATOM 650 O ILE A 47 -2.907 9.558 -1.764 1.00 0.00 O ATOM 651 CB ILE A 47 -1.500 6.756 -1.123 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.391 5.352 -0.507 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.283 7.610 -0.700 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.063 5.107 -0.083 1.00 0.00 C ATOM 0 H ILE A 47 -3.860 7.339 -2.506 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.025 7.133 0.355 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.516 6.660 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.054 5.265 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.705 4.598 -1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.635 7.121 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.352 8.596 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.272 7.716 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.152 4.113 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.713 5.178 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.359 5.856 0.652 1.00 0.00 H new ATOM 666 N GLU A 48 -1.965 9.514 0.214 1.00 0.00 N ATOM 667 CA GLU A 48 -1.669 10.959 0.103 1.00 0.00 C ATOM 668 C GLU A 48 -0.738 11.406 1.231 1.00 0.00 C ATOM 669 O GLU A 48 -0.702 10.829 2.305 1.00 0.00 O ATOM 670 CB GLU A 48 -2.967 11.773 0.141 1.00 0.00 C ATOM 671 CG GLU A 48 -4.032 11.016 0.940 1.00 0.00 C ATOM 672 CD GLU A 48 -4.825 12.007 1.797 1.00 0.00 C ATOM 673 OE1 GLU A 48 -4.274 12.487 2.773 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.968 12.267 1.460 1.00 0.00 O ATOM 0 H GLU A 48 -1.660 9.059 1.074 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.170 11.134 -0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.783 12.747 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.322 11.956 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.702 10.486 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.561 10.265 1.574 1.00 0.00 H new ATOM 681 N GLY A 49 0.017 12.438 0.974 1.00 0.00 N ATOM 682 CA GLY A 49 0.968 12.971 1.987 1.00 0.00 C ATOM 683 C GLY A 49 1.272 14.432 1.641 1.00 0.00 C ATOM 684 O GLY A 49 0.609 15.015 0.806 1.00 0.00 O ATOM 0 H GLY A 49 0.014 12.943 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.538 12.899 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.886 12.383 1.992 1.00 0.00 H new ATOM 688 N PRO A 50 2.262 14.983 2.289 1.00 0.00 N ATOM 689 CA PRO A 50 2.672 16.381 2.062 1.00 0.00 C ATOM 690 C PRO A 50 3.465 16.493 0.754 1.00 0.00 C ATOM 691 O PRO A 50 4.664 16.684 0.759 1.00 0.00 O ATOM 692 CB PRO A 50 3.564 16.693 3.267 1.00 0.00 C ATOM 693 CG PRO A 50 4.068 15.331 3.795 1.00 0.00 C ATOM 694 CD PRO A 50 3.068 14.269 3.299 1.00 0.00 C ATOM 0 HA PRO A 50 1.831 17.068 1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.399 17.332 2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.006 17.226 4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.072 15.120 3.426 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.122 15.334 4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.580 13.410 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.447 13.894 4.113 1.00 0.00 H new ATOM 702 N ALA A 51 2.803 16.372 -0.368 1.00 0.00 N ATOM 703 CA ALA A 51 3.524 16.467 -1.670 1.00 0.00 C ATOM 704 C ALA A 51 2.554 16.924 -2.767 1.00 0.00 C ATOM 705 O ALA A 51 1.376 17.089 -2.520 1.00 0.00 O ATOM 706 CB ALA A 51 4.091 15.093 -2.033 1.00 0.00 C ATOM 0 H ALA A 51 1.798 16.212 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 51 4.335 17.190 -1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.619 15.157 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.782 14.768 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.276 14.374 -2.118 1.00 0.00 H new ATOM 712 N PRO A 52 3.084 17.111 -3.951 1.00 0.00 N ATOM 713 CA PRO A 52 2.294 17.549 -5.117 1.00 0.00 C ATOM 714 C PRO A 52 1.483 16.377 -5.686 1.00 0.00 C ATOM 715 O PRO A 52 0.313 16.508 -5.985 1.00 0.00 O ATOM 716 CB PRO A 52 3.356 18.022 -6.114 1.00 0.00 C ATOM 717 CG PRO A 52 4.677 17.325 -5.710 1.00 0.00 C ATOM 718 CD PRO A 52 4.519 16.905 -4.237 1.00 0.00 C ATOM 0 HA PRO A 52 1.569 18.327 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.075 17.760 -7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.463 19.106 -6.082 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.867 16.458 -6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.524 18.000 -5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.809 15.865 -4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.146 17.509 -3.581 1.00 0.00 H new ATOM 726 N VAL A 53 2.094 15.232 -5.828 1.00 0.00 N ATOM 727 CA VAL A 53 1.358 14.051 -6.367 1.00 0.00 C ATOM 728 C VAL A 53 0.992 13.124 -5.200 1.00 0.00 C ATOM 729 O VAL A 53 1.635 12.117 -4.979 1.00 0.00 O ATOM 730 CB VAL A 53 2.256 13.292 -7.349 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.389 12.585 -8.393 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.195 14.276 -8.052 1.00 0.00 C ATOM 0 H VAL A 53 3.072 15.063 -5.594 1.00 0.00 H new ATOM 0 HA VAL A 53 0.456 14.381 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 53 2.844 12.555 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.028 12.045 -9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.721 11.882 -7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.800 13.323 -8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.833 13.734 -8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.607 15.015 -8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.815 14.780 -7.311 1.00 0.00 H new ATOM 742 N ASP A 54 -0.017 13.462 -4.436 1.00 0.00 N ATOM 743 CA ASP A 54 -0.387 12.601 -3.277 1.00 0.00 C ATOM 744 C ASP A 54 -1.408 11.521 -3.686 1.00 0.00 C ATOM 745 O ASP A 54 -1.261 10.377 -3.305 1.00 0.00 O ATOM 746 CB ASP A 54 -0.961 13.477 -2.153 1.00 0.00 C ATOM 747 CG ASP A 54 0.112 14.460 -1.676 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.230 14.026 -1.453 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.205 15.632 -1.538 1.00 0.00 O ATOM 0 H ASP A 54 -0.596 14.292 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 54 0.509 12.092 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.835 14.021 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.292 12.852 -1.323 1.00 0.00 H new ATOM 754 N PRO A 55 -2.419 11.902 -4.436 1.00 0.00 N ATOM 755 CA PRO A 55 -3.468 10.962 -4.882 1.00 0.00 C ATOM 756 C PRO A 55 -3.013 10.179 -6.121 1.00 0.00 C ATOM 757 O PRO A 55 -3.039 10.692 -7.223 1.00 0.00 O ATOM 758 CB PRO A 55 -4.635 11.880 -5.249 1.00 0.00 C ATOM 759 CG PRO A 55 -4.018 13.267 -5.556 1.00 0.00 C ATOM 760 CD PRO A 55 -2.621 13.288 -4.906 1.00 0.00 C ATOM 0 HA PRO A 55 -3.716 10.221 -4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.175 11.495 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.351 11.946 -4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.946 13.428 -6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.643 14.065 -5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.853 13.582 -5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.576 13.999 -4.081 1.00 0.00 H new ATOM 768 N VAL A 56 -2.591 8.951 -5.965 1.00 0.00 N ATOM 769 CA VAL A 56 -2.141 8.176 -7.143 1.00 0.00 C ATOM 770 C VAL A 56 -2.622 6.731 -7.056 1.00 0.00 C ATOM 771 O VAL A 56 -1.983 5.899 -6.445 1.00 0.00 O ATOM 772 CB VAL A 56 -0.634 8.150 -7.153 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.148 7.694 -8.532 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.086 9.546 -6.850 1.00 0.00 C ATOM 0 H VAL A 56 -2.541 8.459 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.545 8.644 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.278 7.457 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.942 7.673 -8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.532 6.696 -8.742 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.507 8.388 -9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.004 9.519 -6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.438 10.247 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.433 9.868 -5.868 1.00 0.00 H new ATOM 784 N MET A 57 -3.717 6.408 -7.672 1.00 0.00 N ATOM 785 CA MET A 57 -4.180 4.996 -7.614 1.00 0.00 C ATOM 786 C MET A 57 -4.732 4.555 -8.970 1.00 0.00 C ATOM 787 O MET A 57 -5.459 5.272 -9.628 1.00 0.00 O ATOM 788 CB MET A 57 -5.239 4.841 -6.522 1.00 0.00 C ATOM 789 CG MET A 57 -6.565 5.434 -6.999 1.00 0.00 C ATOM 790 SD MET A 57 -7.730 4.096 -7.356 1.00 0.00 S ATOM 791 CE MET A 57 -7.795 4.321 -9.149 1.00 0.00 C ATOM 0 H MET A 57 -4.306 7.047 -8.206 1.00 0.00 H new ATOM 0 HA MET A 57 -3.331 4.356 -7.372 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.369 3.787 -6.276 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.912 5.343 -5.612 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.976 6.094 -6.235 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.405 6.039 -7.891 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.820 4.187 -9.496 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.454 5.325 -9.402 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.150 3.586 -9.631 1.00 0.00 H new ATOM 801 N VAL A 58 -4.371 3.368 -9.394 1.00 0.00 N ATOM 802 CA VAL A 58 -4.848 2.854 -10.709 1.00 0.00 C ATOM 803 C VAL A 58 -5.455 1.458 -10.525 1.00 0.00 C ATOM 804 O VAL A 58 -5.135 0.745 -9.588 1.00 0.00 O ATOM 805 CB VAL A 58 -3.682 2.753 -11.698 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.138 3.243 -13.074 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.505 3.607 -11.220 1.00 0.00 C ATOM 0 H VAL A 58 -3.762 2.732 -8.879 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.596 3.544 -11.099 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.362 1.713 -11.762 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.309 3.172 -13.779 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.966 2.626 -13.424 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.464 4.281 -13.001 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.684 3.526 -11.932 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.818 4.648 -11.144 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.174 3.256 -10.243 1.00 0.00 H new ATOM 817 N ASP A 59 -6.320 1.063 -11.420 1.00 0.00 N ATOM 818 CA ASP A 59 -6.954 -0.282 -11.319 1.00 0.00 C ATOM 819 C ASP A 59 -6.758 -1.038 -12.638 1.00 0.00 C ATOM 820 O ASP A 59 -7.099 -0.551 -13.698 1.00 0.00 O ATOM 821 CB ASP A 59 -8.453 -0.109 -11.039 1.00 0.00 C ATOM 822 CG ASP A 59 -9.206 -1.397 -11.387 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.593 -2.451 -11.335 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.382 -1.306 -11.701 1.00 0.00 O ATOM 0 H ASP A 59 -6.616 1.619 -12.222 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.494 -0.849 -10.509 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.608 0.140 -9.989 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.847 0.721 -11.625 1.00 0.00 H new ATOM 829 N ASN A 60 -6.202 -2.218 -12.584 1.00 0.00 N ATOM 830 CA ASN A 60 -5.979 -2.991 -13.842 1.00 0.00 C ATOM 831 C ASN A 60 -7.200 -3.854 -14.176 1.00 0.00 C ATOM 832 O ASN A 60 -7.351 -4.311 -15.293 1.00 0.00 O ATOM 833 CB ASN A 60 -4.752 -3.891 -13.676 1.00 0.00 C ATOM 834 CG ASN A 60 -3.968 -3.934 -14.988 1.00 0.00 C ATOM 835 OD1 ASN A 60 -4.461 -4.414 -15.990 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.755 -3.452 -15.026 1.00 0.00 N ATOM 0 H ASN A 60 -5.893 -2.679 -11.728 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.818 -2.286 -14.658 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.118 -3.514 -12.874 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.062 -4.897 -13.392 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.223 -3.479 -15.896 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.340 -3.049 -14.186 1.00 0.00 H new ATOM 843 N GLY A 61 -8.081 -4.079 -13.241 1.00 0.00 N ATOM 844 CA GLY A 61 -9.279 -4.904 -13.547 1.00 0.00 C ATOM 845 C GLY A 61 -8.933 -6.392 -13.433 1.00 0.00 C ATOM 846 O GLY A 61 -9.777 -7.247 -13.609 1.00 0.00 O ATOM 0 H GLY A 61 -8.023 -3.729 -12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.087 -4.656 -12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.637 -4.681 -14.552 1.00 0.00 H new ATOM 850 N ASP A 62 -7.699 -6.708 -13.144 1.00 0.00 N ATOM 851 CA ASP A 62 -7.305 -8.142 -13.025 1.00 0.00 C ATOM 852 C ASP A 62 -7.450 -8.600 -11.570 1.00 0.00 C ATOM 853 O ASP A 62 -6.733 -9.466 -11.110 1.00 0.00 O ATOM 854 CB ASP A 62 -5.849 -8.306 -13.467 1.00 0.00 C ATOM 855 CG ASP A 62 -4.974 -7.287 -12.733 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.529 -6.462 -12.028 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.766 -7.350 -12.891 1.00 0.00 O ATOM 0 H ASP A 62 -6.948 -6.036 -12.985 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.952 -8.748 -13.659 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.505 -9.318 -13.253 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.767 -8.163 -14.544 1.00 0.00 H new ATOM 862 N GLY A 63 -8.373 -8.028 -10.840 1.00 0.00 N ATOM 863 CA GLY A 63 -8.563 -8.437 -9.415 1.00 0.00 C ATOM 864 C GLY A 63 -7.461 -7.827 -8.539 1.00 0.00 C ATOM 865 O GLY A 63 -7.475 -7.946 -7.320 1.00 0.00 O ATOM 0 H GLY A 63 -9.003 -7.296 -11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.541 -8.110 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.542 -9.524 -9.335 1.00 0.00 H new ATOM 869 N THR A 64 -6.507 -7.174 -9.142 1.00 0.00 N ATOM 870 CA THR A 64 -5.412 -6.563 -8.350 1.00 0.00 C ATOM 871 C THR A 64 -5.331 -5.068 -8.665 1.00 0.00 C ATOM 872 O THR A 64 -5.605 -4.642 -9.769 1.00 0.00 O ATOM 873 CB THR A 64 -4.086 -7.225 -8.714 1.00 0.00 C ATOM 874 OG1 THR A 64 -4.041 -7.455 -10.116 1.00 0.00 O ATOM 875 CG2 THR A 64 -3.954 -8.554 -7.970 1.00 0.00 C ATOM 0 H THR A 64 -6.441 -7.039 -10.151 1.00 0.00 H new ATOM 0 HA THR A 64 -5.611 -6.706 -7.288 1.00 0.00 H new ATOM 0 HB THR A 64 -3.263 -6.570 -8.428 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.458 -6.702 -10.585 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.006 -9.025 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.985 -8.374 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.776 -9.212 -8.252 1.00 0.00 H new ATOM 883 N TYR A 65 -4.972 -4.265 -7.702 1.00 0.00 N ATOM 884 CA TYR A 65 -4.890 -2.802 -7.954 1.00 0.00 C ATOM 885 C TYR A 65 -3.497 -2.287 -7.599 1.00 0.00 C ATOM 886 O TYR A 65 -2.792 -2.878 -6.807 1.00 0.00 O ATOM 887 CB TYR A 65 -5.950 -2.098 -7.111 1.00 0.00 C ATOM 888 CG TYR A 65 -7.301 -2.539 -7.609 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.665 -3.889 -7.535 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.174 -1.610 -8.176 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.899 -4.305 -8.023 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.410 -2.028 -8.668 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.777 -3.377 -8.593 1.00 0.00 C ATOM 894 OH TYR A 65 -11.000 -3.789 -9.081 1.00 0.00 O ATOM 0 H TYR A 65 -4.733 -4.559 -6.755 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.070 -2.597 -9.009 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.830 -2.351 -6.057 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.847 -1.016 -7.193 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.987 -4.608 -7.099 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.893 -0.569 -8.234 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.180 -5.346 -7.962 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.086 -1.309 -9.108 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.485 -3.017 -9.441 1.00 0.00 H new ATOM 904 N ASP A 66 -3.085 -1.196 -8.188 1.00 0.00 N ATOM 905 CA ASP A 66 -1.727 -0.668 -7.882 1.00 0.00 C ATOM 906 C ASP A 66 -1.805 0.825 -7.578 1.00 0.00 C ATOM 907 O ASP A 66 -2.434 1.583 -8.290 1.00 0.00 O ATOM 908 CB ASP A 66 -0.809 -0.894 -9.086 1.00 0.00 C ATOM 909 CG ASP A 66 0.565 -0.286 -8.797 1.00 0.00 C ATOM 910 OD1 ASP A 66 0.885 -0.121 -7.632 1.00 0.00 O ATOM 911 OD2 ASP A 66 1.274 0.005 -9.746 1.00 0.00 O ATOM 0 H ASP A 66 -3.625 -0.653 -8.861 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.328 -1.190 -7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.712 -1.961 -9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.241 -0.438 -9.977 1.00 0.00 H new ATOM 916 N VAL A 67 -1.167 1.256 -6.526 1.00 0.00 N ATOM 917 CA VAL A 67 -1.202 2.702 -6.176 1.00 0.00 C ATOM 918 C VAL A 67 0.245 3.208 -6.030 1.00 0.00 C ATOM 919 O VAL A 67 1.117 2.465 -5.619 1.00 0.00 O ATOM 920 CB VAL A 67 -1.986 2.872 -4.871 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.183 1.922 -4.876 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.115 2.533 -3.686 1.00 0.00 C ATOM 0 H VAL A 67 -0.623 0.669 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.696 3.284 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.317 3.908 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.744 2.039 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.828 2.154 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.831 0.894 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.687 2.659 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.779 1.499 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.250 3.196 -3.669 1.00 0.00 H new ATOM 932 N GLU A 68 0.530 4.448 -6.380 1.00 0.00 N ATOM 933 CA GLU A 68 1.951 4.916 -6.266 1.00 0.00 C ATOM 934 C GLU A 68 2.065 6.425 -6.025 1.00 0.00 C ATOM 935 O GLU A 68 1.640 7.223 -6.820 1.00 0.00 O ATOM 936 CB GLU A 68 2.695 4.632 -7.570 1.00 0.00 C ATOM 937 CG GLU A 68 2.192 3.333 -8.206 1.00 0.00 C ATOM 938 CD GLU A 68 0.835 3.576 -8.871 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.749 4.486 -9.681 1.00 0.00 O ATOM 940 OE2 GLU A 68 -0.094 2.849 -8.561 1.00 0.00 O ATOM 0 H GLU A 68 -0.139 5.135 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 68 2.375 4.380 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.554 5.461 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.765 4.558 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.911 2.976 -8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.102 2.556 -7.447 1.00 0.00 H new ATOM 947 N PHE A 69 2.738 6.814 -4.990 1.00 0.00 N ATOM 948 CA PHE A 69 2.964 8.276 -4.745 1.00 0.00 C ATOM 949 C PHE A 69 4.458 8.472 -4.450 1.00 0.00 C ATOM 950 O PHE A 69 5.140 7.551 -4.035 1.00 0.00 O ATOM 951 CB PHE A 69 2.116 8.802 -3.574 1.00 0.00 C ATOM 952 CG PHE A 69 2.678 8.304 -2.278 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.674 6.937 -1.992 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.195 9.217 -1.356 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.188 6.485 -0.778 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.708 8.764 -0.143 1.00 0.00 C ATOM 957 CZ PHE A 69 3.701 7.392 0.140 1.00 0.00 C ATOM 0 H PHE A 69 3.147 6.190 -4.295 1.00 0.00 H new ATOM 0 HA PHE A 69 2.661 8.840 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.105 9.892 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.083 8.472 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.275 6.234 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.197 10.273 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.187 5.429 -0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.108 9.465 0.574 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.098 7.037 1.080 1.00 0.00 H new ATOM 967 N GLU A 70 4.996 9.636 -4.690 1.00 0.00 N ATOM 968 CA GLU A 70 6.456 9.818 -4.436 1.00 0.00 C ATOM 969 C GLU A 70 6.772 11.289 -4.089 1.00 0.00 C ATOM 970 O GLU A 70 6.858 12.123 -4.967 1.00 0.00 O ATOM 971 CB GLU A 70 7.211 9.405 -5.696 1.00 0.00 C ATOM 972 CG GLU A 70 6.856 10.355 -6.843 1.00 0.00 C ATOM 973 CD GLU A 70 8.080 11.198 -7.208 1.00 0.00 C ATOM 974 OE1 GLU A 70 9.047 11.156 -6.466 1.00 0.00 O ATOM 975 OE2 GLU A 70 8.027 11.873 -8.223 1.00 0.00 O ATOM 0 H GLU A 70 4.501 10.455 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 70 6.762 9.203 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.285 9.427 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.955 8.381 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.522 9.785 -7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.030 11.003 -6.550 1.00 0.00 H new ATOM 982 N PRO A 71 6.936 11.560 -2.813 1.00 0.00 N ATOM 983 CA PRO A 71 7.246 12.920 -2.308 1.00 0.00 C ATOM 984 C PRO A 71 8.752 13.237 -2.398 1.00 0.00 C ATOM 985 O PRO A 71 9.543 12.437 -2.861 1.00 0.00 O ATOM 986 CB PRO A 71 6.810 12.854 -0.842 1.00 0.00 C ATOM 987 CG PRO A 71 6.829 11.356 -0.443 1.00 0.00 C ATOM 988 CD PRO A 71 6.812 10.542 -1.752 1.00 0.00 C ATOM 0 HA PRO A 71 6.747 13.699 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.485 13.432 -0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.813 13.277 -0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.718 11.124 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.966 11.110 0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.635 9.828 -1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.889 9.971 -1.854 1.00 0.00 H new ATOM 996 N LYS A 72 9.148 14.411 -1.954 1.00 0.00 N ATOM 997 CA LYS A 72 10.597 14.807 -2.000 1.00 0.00 C ATOM 998 C LYS A 72 10.975 15.616 -0.746 1.00 0.00 C ATOM 999 O LYS A 72 11.817 16.488 -0.803 1.00 0.00 O ATOM 1000 CB LYS A 72 10.862 15.673 -3.229 1.00 0.00 C ATOM 1001 CG LYS A 72 9.580 16.397 -3.646 1.00 0.00 C ATOM 1002 CD LYS A 72 9.919 17.494 -4.657 1.00 0.00 C ATOM 1003 CE LYS A 72 9.971 18.846 -3.945 1.00 0.00 C ATOM 1004 NZ LYS A 72 8.595 19.243 -3.537 1.00 0.00 N ATOM 0 H LYS A 72 8.525 15.116 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 72 11.195 13.897 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.645 16.399 -3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.223 15.053 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.876 15.689 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.094 16.831 -2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.878 17.283 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.171 17.517 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.618 18.784 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.399 19.601 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.519 20.280 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.906 18.848 -4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.397 18.879 -2.583 1.00 0.00 H new ATOM 1018 N GLU A 73 10.378 15.343 0.388 1.00 0.00 N ATOM 1019 CA GLU A 73 10.736 16.105 1.611 1.00 0.00 C ATOM 1020 C GLU A 73 10.479 15.221 2.835 1.00 0.00 C ATOM 1021 O GLU A 73 10.527 14.011 2.759 1.00 0.00 O ATOM 1022 CB GLU A 73 9.875 17.373 1.679 1.00 0.00 C ATOM 1023 CG GLU A 73 8.423 16.996 1.984 1.00 0.00 C ATOM 1024 CD GLU A 73 7.939 17.770 3.211 1.00 0.00 C ATOM 1025 OE1 GLU A 73 8.719 17.922 4.137 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.797 18.200 3.205 1.00 0.00 O ATOM 0 H GLU A 73 9.662 14.628 0.514 1.00 0.00 H new ATOM 0 HA GLU A 73 11.788 16.391 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.257 18.042 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.930 17.912 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.790 17.222 1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.345 15.924 2.164 1.00 0.00 H new ATOM 1033 N ALA A 74 10.172 15.814 3.951 1.00 0.00 N ATOM 1034 CA ALA A 74 9.867 15.015 5.170 1.00 0.00 C ATOM 1035 C ALA A 74 8.351 14.919 5.263 1.00 0.00 C ATOM 1036 O ALA A 74 7.660 15.918 5.253 1.00 0.00 O ATOM 1037 CB ALA A 74 10.442 15.707 6.405 1.00 0.00 C ATOM 0 H ALA A 74 10.118 16.825 4.074 1.00 0.00 H new ATOM 0 HA ALA A 74 10.312 14.021 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.214 15.116 7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.523 15.801 6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.000 16.698 6.506 1.00 0.00 H new ATOM 1043 N GLY A 75 7.812 13.733 5.282 1.00 0.00 N ATOM 1044 CA GLY A 75 6.331 13.624 5.291 1.00 0.00 C ATOM 1045 C GLY A 75 5.874 12.244 5.748 1.00 0.00 C ATOM 1046 O GLY A 75 6.614 11.285 5.727 1.00 0.00 O ATOM 0 H GLY A 75 8.323 12.850 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.913 14.384 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.945 13.824 4.292 1.00 0.00 H new ATOM 1050 N ASP A 76 4.639 12.148 6.132 1.00 0.00 N ATOM 1051 CA ASP A 76 4.079 10.846 6.563 1.00 0.00 C ATOM 1052 C ASP A 76 3.032 10.454 5.532 1.00 0.00 C ATOM 1053 O ASP A 76 2.518 11.285 4.809 1.00 0.00 O ATOM 1054 CB ASP A 76 3.429 10.987 7.940 1.00 0.00 C ATOM 1055 CG ASP A 76 2.673 12.315 8.015 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.754 12.496 7.235 1.00 0.00 O ATOM 1057 OD2 ASP A 76 3.027 13.128 8.854 1.00 0.00 O ATOM 0 H ASP A 76 3.984 12.929 6.166 1.00 0.00 H new ATOM 0 HA ASP A 76 4.860 10.089 6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.745 10.157 8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.190 10.945 8.719 1.00 0.00 H new ATOM 1062 N TYR A 77 2.734 9.199 5.424 1.00 0.00 N ATOM 1063 CA TYR A 77 1.749 8.778 4.395 1.00 0.00 C ATOM 1064 C TYR A 77 0.494 8.254 5.044 1.00 0.00 C ATOM 1065 O TYR A 77 0.529 7.475 5.972 1.00 0.00 O ATOM 1066 CB TYR A 77 2.293 7.631 3.551 1.00 0.00 C ATOM 1067 CG TYR A 77 3.721 7.861 3.185 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.149 9.136 2.827 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.606 6.781 3.150 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.472 9.341 2.435 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.927 6.979 2.751 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.364 8.262 2.392 1.00 0.00 C ATOM 1073 OH TYR A 77 7.669 8.461 1.991 1.00 0.00 O ATOM 0 H TYR A 77 3.123 8.449 5.996 1.00 0.00 H new ATOM 0 HA TYR A 77 1.548 9.657 3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.202 6.695 4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.695 7.527 2.646 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.458 9.965 2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.268 5.795 3.431 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.808 10.331 2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.613 6.145 2.718 1.00 0.00 H new ATOM 0 HH TYR A 77 8.118 7.595 1.896 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.614 8.630 4.503 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.896 8.115 5.012 1.00 0.00 C ATOM 1085 C VAL A 78 -2.441 7.223 3.918 1.00 0.00 C ATOM 1086 O VAL A 78 -2.460 7.597 2.749 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.860 9.253 5.310 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.729 10.321 4.230 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.291 8.712 5.341 1.00 0.00 C ATOM 0 H VAL A 78 -0.688 9.280 3.720 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.764 7.570 5.947 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.624 9.693 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.419 11.138 4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.708 10.702 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.966 9.887 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.983 9.526 5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.535 8.273 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.376 7.951 6.117 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.820 6.034 4.262 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.294 5.102 3.208 1.00 0.00 C ATOM 1101 C ILE A 79 -4.785 4.843 3.307 1.00 0.00 C ATOM 1102 O ILE A 79 -5.420 5.024 4.323 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.526 3.776 3.299 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.206 3.981 4.053 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.221 3.272 1.890 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -1.405 3.652 5.534 1.00 0.00 C ATOM 0 H ILE A 79 -2.824 5.667 5.214 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.105 5.572 2.243 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.137 3.048 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.430 3.343 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.868 5.011 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.675 2.330 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.155 3.116 1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.615 4.009 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.466 3.798 6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.167 4.309 5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.723 2.615 5.637 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.331 4.414 2.218 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.767 4.096 2.163 1.00 0.00 C ATOM 1120 C ASN A 80 -6.961 2.993 1.120 1.00 0.00 C ATOM 1121 O ASN A 80 -6.753 3.189 -0.059 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.551 5.339 1.767 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.969 6.567 2.470 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.137 6.708 3.757 1.00 0.00 O flip ATOM 1125 ND2 ASN A 80 -6.357 7.407 1.841 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.828 4.267 1.343 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.126 3.760 3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.512 5.475 0.686 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.601 5.219 2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.226 7.296 0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.974 8.223 2.318 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.360 1.837 1.556 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.584 0.697 0.623 1.00 0.00 C ATOM 1134 C LEU A 81 -8.858 0.015 1.080 1.00 0.00 C ATOM 1135 O LEU A 81 -8.953 -0.462 2.191 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.396 -0.272 0.683 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.721 -1.618 0.029 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.398 -2.524 1.048 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.640 -1.422 -1.172 1.00 0.00 C ATOM 0 H LEU A 81 -7.545 1.627 2.537 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.674 1.035 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.537 0.176 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.112 -0.433 1.723 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.793 -2.076 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.630 -3.483 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.730 -2.682 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.319 -2.056 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.860 -2.389 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.569 -0.954 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.149 -0.782 -1.905 1.00 0.00 H new ATOM 1151 N THR A 82 -9.860 0.027 0.263 1.00 0.00 N ATOM 1152 CA THR A 82 -11.163 -0.556 0.704 1.00 0.00 C ATOM 1153 C THR A 82 -11.730 -1.535 -0.315 1.00 0.00 C ATOM 1154 O THR A 82 -11.764 -1.273 -1.501 1.00 0.00 O ATOM 1155 CB THR A 82 -12.145 0.603 0.885 1.00 0.00 C ATOM 1156 OG1 THR A 82 -12.001 1.523 -0.191 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.845 1.317 2.197 1.00 0.00 C ATOM 0 H THR A 82 -9.845 0.408 -0.683 1.00 0.00 H new ATOM 0 HA THR A 82 -11.007 -1.109 1.630 1.00 0.00 H new ATOM 0 HB THR A 82 -13.164 0.215 0.899 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.317 1.196 -0.812 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.543 2.144 2.329 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.951 0.616 3.025 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.826 1.703 2.177 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.215 -2.656 0.153 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.827 -3.649 -0.790 1.00 0.00 C ATOM 1167 C LEU A 83 -14.096 -4.234 -0.164 1.00 0.00 C ATOM 1168 O LEU A 83 -14.100 -5.356 0.288 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.833 -4.780 -1.098 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.333 -5.636 -2.284 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.385 -6.629 -1.791 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -12.968 -4.740 -3.352 1.00 0.00 C ATOM 0 H LEU A 83 -12.216 -2.928 1.136 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.078 -3.142 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.856 -4.358 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.705 -5.409 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.484 -6.169 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.737 -7.232 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.945 -7.279 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.224 -6.085 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.316 -5.354 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.812 -4.201 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.229 -4.026 -3.714 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.159 -3.458 -0.136 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.472 -3.899 0.444 1.00 0.00 C ATOM 1186 C ASP A 84 -17.092 -2.719 1.181 1.00 0.00 C ATOM 1187 O ASP A 84 -18.285 -2.659 1.405 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.327 -5.086 1.406 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.317 -6.394 0.610 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -17.171 -6.547 -0.248 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.457 -7.216 0.871 1.00 0.00 O ATOM 0 H ASP A 84 -15.169 -2.507 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.108 -4.233 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.406 -4.991 1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.150 -5.090 2.121 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.272 -1.786 1.583 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.780 -0.611 2.333 1.00 0.00 C ATOM 1198 C GLY A 85 -15.917 -0.399 3.583 1.00 0.00 C ATOM 1199 O GLY A 85 -16.168 0.491 4.371 1.00 0.00 O ATOM 0 H GLY A 85 -15.265 -1.791 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.752 0.278 1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.821 -0.768 2.617 1.00 0.00 H new ATOM 1203 N ASP A 86 -14.894 -1.201 3.771 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.028 -1.020 4.963 1.00 0.00 C ATOM 1205 C ASP A 86 -12.578 -0.944 4.487 1.00 0.00 C ATOM 1206 O ASP A 86 -12.278 -1.282 3.359 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.197 -2.210 5.912 1.00 0.00 C ATOM 1208 CG ASP A 86 -15.069 -1.797 7.100 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -14.795 -0.759 7.680 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -15.997 -2.527 7.410 1.00 0.00 O ATOM 0 H ASP A 86 -14.629 -1.966 3.151 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.302 -0.108 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.655 -3.047 5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.223 -2.550 6.263 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.669 -0.511 5.318 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.258 -0.434 4.864 1.00 0.00 C ATOM 1217 C ASN A 87 -9.495 -1.648 5.377 1.00 0.00 C ATOM 1218 O ASN A 87 -9.875 -2.265 6.352 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.607 0.840 5.409 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.561 2.022 5.231 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -11.550 2.130 5.929 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -10.305 2.920 4.320 1.00 0.00 N ATOM 0 H ASN A 87 -11.842 -0.212 6.278 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.231 -0.416 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.363 0.713 6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.670 1.034 4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.935 3.712 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.475 2.830 3.734 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.421 -2.003 4.731 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.647 -3.184 5.201 1.00 0.00 C ATOM 1231 C VAL A 88 -7.051 -2.856 6.582 1.00 0.00 C ATOM 1232 O VAL A 88 -7.148 -1.739 7.051 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.542 -3.508 4.183 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.377 -4.241 4.856 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.131 -4.409 3.099 1.00 0.00 C ATOM 0 H VAL A 88 -8.048 -1.532 3.906 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.291 -4.059 5.290 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.168 -2.577 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.608 -4.459 4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.957 -3.613 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.737 -5.173 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.360 -4.649 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.501 -5.329 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.953 -3.892 2.604 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.473 -3.819 7.258 1.00 0.00 N ATOM 1246 CA ASN A 89 -5.921 -3.550 8.626 1.00 0.00 C ATOM 1247 C ASN A 89 -4.554 -2.858 8.567 1.00 0.00 C ATOM 1248 O ASN A 89 -3.787 -2.910 9.508 1.00 0.00 O ATOM 1249 CB ASN A 89 -5.786 -4.869 9.388 1.00 0.00 C ATOM 1250 CG ASN A 89 -6.640 -4.819 10.654 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -7.692 -4.209 10.669 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -6.231 -5.437 11.729 1.00 0.00 N ATOM 0 H ASN A 89 -6.359 -4.776 6.925 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.613 -2.882 9.138 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.102 -5.699 8.757 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.742 -5.045 9.648 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.794 -5.408 12.579 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.349 -5.949 11.718 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.243 -2.207 7.490 1.00 0.00 N ATOM 1260 CA GLY A 90 -2.926 -1.505 7.397 1.00 0.00 C ATOM 1261 C GLY A 90 -3.057 -0.279 6.486 1.00 0.00 C ATOM 1262 O GLY A 90 -2.078 0.258 6.008 1.00 0.00 O ATOM 0 H GLY A 90 -4.838 -2.126 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.595 -1.199 8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.169 -2.183 7.004 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.263 0.144 6.214 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.464 1.302 5.304 1.00 0.00 C ATOM 1268 C PHE A 91 -4.961 2.554 6.018 1.00 0.00 C ATOM 1269 O PHE A 91 -4.474 3.621 5.727 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.443 0.903 4.232 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.637 0.513 3.039 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.092 -0.766 2.961 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.418 1.434 2.021 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.331 -1.128 1.854 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.657 1.083 0.913 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.110 -0.203 0.824 1.00 0.00 C ATOM 0 H PHE A 91 -5.119 -0.267 6.586 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.494 1.559 4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.066 0.073 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.113 1.729 3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.260 -1.475 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.841 2.425 2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.911 -2.121 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.488 1.800 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.519 -0.482 -0.036 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.873 2.437 6.951 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.352 3.620 7.666 1.00 0.00 C ATOM 1288 C PRO A 92 -5.260 4.078 8.628 1.00 0.00 C ATOM 1289 O PRO A 92 -5.485 4.882 9.512 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.611 3.134 8.390 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.487 1.599 8.491 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.481 1.169 7.405 1.00 0.00 C ATOM 0 HA PRO A 92 -6.581 4.475 7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.688 3.584 9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.509 3.416 7.840 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.140 1.302 9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.454 1.121 8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.730 0.488 7.805 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.978 0.650 6.585 1.00 0.00 H new ATOM 1300 N LYS A 93 -4.061 3.578 8.441 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.939 3.979 9.308 1.00 0.00 C ATOM 1302 C LYS A 93 -2.090 4.992 8.559 1.00 0.00 C ATOM 1303 O LYS A 93 -2.342 5.317 7.405 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.105 2.742 9.652 1.00 0.00 C ATOM 1305 CG LYS A 93 -1.215 3.044 10.860 1.00 0.00 C ATOM 1306 CD LYS A 93 -1.084 1.792 11.728 1.00 0.00 C ATOM 1307 CE LYS A 93 0.268 1.808 12.442 1.00 0.00 C ATOM 1308 NZ LYS A 93 0.050 1.783 13.916 1.00 0.00 N ATOM 0 H LYS A 93 -3.823 2.903 7.714 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.308 4.425 10.232 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.760 1.899 9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.492 2.455 8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.231 3.372 10.526 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.641 3.860 11.443 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.893 1.756 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.171 0.898 11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.863 0.947 12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.829 2.699 12.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.969 1.794 14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.502 2.618 14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.469 0.920 14.176 1.00 0.00 H new ATOM 1322 N THR A 94 -1.092 5.502 9.205 1.00 0.00 N ATOM 1323 CA THR A 94 -0.232 6.498 8.543 1.00 0.00 C ATOM 1324 C THR A 94 1.219 6.079 8.659 1.00 0.00 C ATOM 1325 O THR A 94 1.709 5.771 9.728 1.00 0.00 O ATOM 1326 CB THR A 94 -0.422 7.852 9.219 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.811 8.115 9.357 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.232 8.936 8.367 1.00 0.00 C ATOM 0 H THR A 94 -0.836 5.271 10.165 1.00 0.00 H new ATOM 0 HA THR A 94 -0.503 6.569 7.490 1.00 0.00 H new ATOM 0 HB THR A 94 0.041 7.844 10.206 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.938 8.984 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.099 9.906 8.847 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.297 8.725 8.264 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.231 8.952 7.380 1.00 0.00 H new ATOM 1336 N VAL A 95 1.922 6.092 7.570 1.00 0.00 N ATOM 1337 CA VAL A 95 3.358 5.720 7.640 1.00 0.00 C ATOM 1338 C VAL A 95 4.163 7.016 7.725 1.00 0.00 C ATOM 1339 O VAL A 95 3.688 8.070 7.353 1.00 0.00 O ATOM 1340 CB VAL A 95 3.757 4.880 6.420 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.258 4.957 6.182 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.402 3.421 6.676 1.00 0.00 C ATOM 0 H VAL A 95 1.573 6.340 6.644 1.00 0.00 H new ATOM 0 HA VAL A 95 3.559 5.105 8.518 1.00 0.00 H new ATOM 0 HB VAL A 95 3.226 5.267 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.520 4.354 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.546 5.993 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.785 4.578 7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.684 2.821 5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.939 3.065 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.329 3.332 6.845 1.00 0.00 H new ATOM 1352 N THR A 96 5.346 6.977 8.275 1.00 0.00 N ATOM 1353 CA THR A 96 6.099 8.251 8.440 1.00 0.00 C ATOM 1354 C THR A 96 7.451 8.250 7.722 1.00 0.00 C ATOM 1355 O THR A 96 8.179 7.278 7.709 1.00 0.00 O ATOM 1356 CB THR A 96 6.335 8.485 9.932 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.086 8.670 10.583 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.203 9.729 10.127 1.00 0.00 C ATOM 0 H THR A 96 5.816 6.136 8.611 1.00 0.00 H new ATOM 0 HA THR A 96 5.499 9.044 7.993 1.00 0.00 H new ATOM 0 HB THR A 96 6.844 7.621 10.359 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.235 8.819 11.540 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.369 9.893 11.192 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.161 9.586 9.628 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.698 10.596 9.701 1.00 0.00 H new ATOM 1366 N VAL A 97 7.795 9.387 7.177 1.00 0.00 N ATOM 1367 CA VAL A 97 9.108 9.572 6.499 1.00 0.00 C ATOM 1368 C VAL A 97 9.719 10.872 7.041 1.00 0.00 C ATOM 1369 O VAL A 97 9.018 11.830 7.318 1.00 0.00 O ATOM 1370 CB VAL A 97 8.929 9.649 4.976 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.096 10.397 4.364 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.945 8.245 4.377 1.00 0.00 C ATOM 0 H VAL A 97 7.202 10.217 7.175 1.00 0.00 H new ATOM 0 HA VAL A 97 9.765 8.726 6.700 1.00 0.00 H new ATOM 0 HB VAL A 97 7.984 10.151 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.967 10.451 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.137 11.406 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.024 9.873 4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.817 8.309 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.897 7.764 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.132 7.658 4.804 1.00 0.00 H new ATOM 1382 N LYS A 98 11.011 10.904 7.214 1.00 0.00 N ATOM 1383 CA LYS A 98 11.670 12.119 7.784 1.00 0.00 C ATOM 1384 C LYS A 98 12.190 13.008 6.643 1.00 0.00 C ATOM 1385 O LYS A 98 11.864 12.763 5.499 1.00 0.00 O ATOM 1386 CB LYS A 98 12.828 11.663 8.685 1.00 0.00 C ATOM 1387 CG LYS A 98 12.613 10.215 9.144 1.00 0.00 C ATOM 1388 CD LYS A 98 13.125 10.048 10.575 1.00 0.00 C ATOM 1389 CE LYS A 98 12.386 8.888 11.246 1.00 0.00 C ATOM 1390 NZ LYS A 98 13.062 8.541 12.526 1.00 0.00 N ATOM 0 H LYS A 98 11.644 10.138 6.985 1.00 0.00 H new ATOM 0 HA LYS A 98 10.958 12.699 8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.771 11.743 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.902 12.319 9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.554 9.961 9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.137 9.530 8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.198 9.856 10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.969 10.968 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.348 9.164 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.370 8.022 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.559 7.753 12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.045 8.260 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.055 9.367 13.158 1.00 0.00 H new